N6-(3-bromophenyl)-N4-(2,4-dichlorophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-bromophenyl)-N4-(2,4-dichlorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-bromophenyl)-N4-(2,4-dichlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-bromophenyl)-N4-(2,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-bromophenyl)-4-N-(2,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-(2,4-dichlorophenyl)amine Formula: C16H10BrCl2N5O2 MolecularWeight: 455.0929

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrCl2N5O2/c17-9-2-1-3-11(6-9)22-15-14(24(25)26)16(21-8-20-15)23-13-5-4-10(18)7-12(13)19/h1-8H,(H2,20,21,22,23)